Detailed information for compound 35666

Basic information

Technical information
  • TDR Targets ID: 35666
  • Name: 2-[5-(4-cyanobenzoyl)-1-methylpyrrol-2-yl]-N- [2,4-dichloro-3-[(2-methylquinolin-8-yl)oxyme thyl]phenyl]-N-methylacetamide
  • MW: 597.491 | Formula: C33H26Cl2N4O3
  • H donors: 0 H acceptors: 4 LogP: 6.44 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1)C(=O)c1ccc(n1C)CC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2)Cl)C
  • InChi: 1S/C33H26Cl2N4O3/c1-20-7-10-22-5-4-6-29(32(22)37-20)42-19-25-26(34)14-16-27(31(25)35)39(3)30(40)17-24-13-15-28(38(24)2)33(41)23-11-8-21(18-36)9-12-23/h4-16H,17,19H2,1-3H3
  • InChiKey: XDSJSAQKNVFGCS-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[5-(4-cyanobenzoyl)-1-methyl-pyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]-N-methyl-acetamide
  • 2-[5-[(4-cyanophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]-N-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]-N-methylacetamide
  • 2-[5-(4-cyanophenyl)carbonyl-1-methyl-pyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bradykinin receptor B2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor bradykinin receptor B2 391 aa 354 aa 19.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0087 0.0241 0.0241
Echinococcus granulosus neuropeptide Y receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) serotonin transporter b 0.0147 0.0488 0.0488
Echinococcus multilocularis rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0087 0.0241 0.0241
Echinococcus multilocularis cathepsin L 0.0048 0.008 0.008
Brugia malayi Serotonin receptor 0.0087 0.0241 0.0241
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Brugia malayi G protein-coupled receptor F59B2.13 0.0087 0.0241 0.0241
Trypanosoma cruzi cysteine peptidase, putative 0.0082 0.0218 0.0257
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) ctsf protein 0.0082 0.0218 0.0218
Echinococcus multilocularis serotonin receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) fibroinase 0.0082 0.0218 0.0218
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0048 0.008 0.0074
Schistosoma mansoni hypothetical protein 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0048 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Echinococcus multilocularis G-protein coupled receptor, putative 0.0087 0.0241 0.0241
Schistosoma mansoni hypothetical protein 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0087 0.0241 0.0241
Echinococcus granulosus hypothetical protein 0.0087 0.0241 0.0241
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis cathepsin b 0.0438 0.1686 0.1686
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0078 0.0078
Onchocerca volvulus 0.0035 0.0025 0.0025
Echinococcus granulosus tm gpcr rhodopsin 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus neuropeptide s receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus neuropeptide receptor A26 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Brugia malayi Dopamine receptor 0.0087 0.0241 0.0241
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0147 0.0488 0.0488
Brugia malayi G-protein coupled receptor 0.0087 0.0241 0.0241
Echinococcus granulosus rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Brugia malayi Cathepsin L-like precursor 0.0082 0.0218 0.0218
Loa Loa (eye worm) TYRA-2 protein 0.0087 0.0241 0.0241
Echinococcus granulosus rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Onchocerca volvulus 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Onchocerca volvulus 0.0087 0.0241 0.0241
Trichomonas vaginalis set domain proteins, putative 0.0229 0.0826 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.008 0.0695
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Brugia malayi Dopamine receptor protein 2 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0082 0.0218 0.0218
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0082 0.0218 0.0218
Schistosoma mansoni amine GPCR 0.0087 0.0241 0.0241
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2455 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0017 0.0017
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0025 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0025 0.0025
Brugia malayi follicle stimulating hormone receptor 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0082 0.0218 0.0218
Echinococcus multilocularis rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0059 0.0124 0.0124
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Echinococcus granulosus somatostatin receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.0025
Echinococcus granulosus fmrfamide receptor 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0082 0.0218 0.0218
Echinococcus granulosus rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Echinococcus multilocularis G protein coupled receptor 139 0.0087 0.0241 0.0241
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0087 0.0241 0.0241
Echinococcus granulosus neuropeptide receptor 0.0087 0.0241 0.0241
Brugia malayi Tachykinin-like peptides receptor 99D 0.0087 0.0241 0.0241
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0087 0.0241 0.0241
Brugia malayi Serotonin receptor 0.0087 0.0241 0.0241
Schistosoma mansoni amine GPCR 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Leishmania major cathepsin L-like protease 0.0082 0.0218 0.0257
Onchocerca volvulus 0.0087 0.0241 0.0241
Trypanosoma cruzi cysteine proteinase, putative 0.0048 0.008 0.0074
Echinococcus granulosus allatostatin A receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) cathepsin B 0.0153 0.0512 0.0512
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0438 0.1686 0.1686
Echinococcus multilocularis cathepsin L cysteine protease 0.0082 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Brugia malayi Papain family cysteine protease containing protein 0.0048 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0438 0.1686 0.1686
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0048 0.008 0.0074
Brugia malayi Cathepsin L-like precursor 0.0082 0.0218 0.0218
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.008 0.0074
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Trypanosoma cruzi cysteine proteinase, putative 0.0048 0.008 0.0074
Echinococcus granulosus vesicular acetylcholine transporter 0.2455 1 1
Schistosoma mansoni neuropeptide receptor 0.0087 0.0241 0.0241
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Entamoeba histolytica cysteine proteinase, putative 0.0059 0.0124 0.3182
Schistosoma mansoni neuropeptide F-like receptor 0.0087 0.0241 0.0241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0087 0.0241 0.0241
Brugia malayi RE15519p 0.0087 0.0241 0.0241
Echinococcus multilocularis neuropeptides capa receptor 0.0087 0.0241 0.0241
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0147 0.0488 0.0488
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0059 0.0124 0.0124
Entamoeba histolytica cysteine proteinase, putative 0.0082 0.0218 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus cathepsin b 0.0438 0.1686 0.1686
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0438 0.1686 0.1686
Schistosoma mansoni myosin xvIII 0.0087 0.0241 0.0241
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0033 0.0017 0.0017
Schistosoma mansoni opsin-like receptor 0.0087 0.0241 0.0241
Echinococcus granulosus rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0087 0.0241 0.0241
Brugia malayi G protein-coupled receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) neuropeptide F receptor 0.0087 0.0241 0.0241
Toxoplasma gondii cathepsin B 0.0153 0.0512 1
Onchocerca volvulus 0.0087 0.0241 0.0241
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0025 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.008 0.008
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0357 0.0357
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Echinococcus multilocularis rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0153 0.0512 0.0646
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0087 0.0241 0.0241
Leishmania major cathepsin L-like protease 0.0082 0.0218 0.0257
Echinococcus multilocularis neuropeptide receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.008 0.008
Echinococcus multilocularis somatostatin receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis neuropeptides capa receptor 0.0087 0.0241 0.0241
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0048 0.008 0.008
Echinococcus multilocularis rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0035 0.0025 0.0025
Onchocerca volvulus 0.0059 0.0124 0.0124
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0025 0.0025
Echinococcus multilocularis sex peptide receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis serotonin transporter 0.0147 0.0488 0.0488
Echinococcus multilocularis rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Echinococcus granulosus neuropeptide receptor 0.0087 0.0241 0.0241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0048 0.008 0.0074
Leishmania major cysteine peptidase A (CPA) 0.0082 0.0218 0.0257
Onchocerca volvulus 0.0147 0.0488 0.0488
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0087 0.0241 0.0241
Echinococcus granulosus g protein coupled receptor 0.0087 0.0241 0.0241
Leishmania major cathepsin L-like protease 0.0082 0.0218 0.0257
Onchocerca volvulus 0.0087 0.0241 0.0241
Schistosoma mansoni amine GPCR 0.0087 0.0241 0.0241
Trypanosoma cruzi cysteine peptidase, putative 0.0082 0.0218 0.0257
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0082 0.0218 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0025 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 0.0512 0.0512
Plasmodium vivax vivapain-2 0.0082 0.0218 1
Leishmania major cathepsin L-like protease 0.0082 0.0218 0.0257
Echinococcus granulosus neuropeptide Y receptor 0.0087 0.0241 0.0241
Brugia malayi Cathepsin L-like precursor 0.0082 0.0218 0.0218
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0082 0.0218 0.0218
Brugia malayi Cathepsin L-like precursor 0.0059 0.0124 0.0124
Echinococcus multilocularis neuropeptide receptor A26 0.0087 0.0241 0.0241
Schistosoma mansoni hypothetical protein 0.0087 0.0241 0.0241
Leishmania major cathepsin L-like protease 0.0082 0.0218 0.0257
Echinococcus multilocularis rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Brugia malayi G-protein coupled receptor 0.0087 0.0241 0.0241
Schistosoma mansoni sodium/chloride dependent transporter 0.0147 0.0488 0.0488
Trypanosoma cruzi cysteine peptidase, putative 0.0082 0.0218 0.0257
Brugia malayi Cathepsin L-like cysteine proteinase 0.0059 0.0124 0.0124
Brugia malayi Pre-SET motif family protein 0.0201 0.0711 0.0711
Plasmodium vivax vivapain-2 0.0082 0.0218 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis g protein coupled receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.0025
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Schistosoma mansoni vesicular acetylcholine transporter 0.2455 1 1
Echinococcus multilocularis tumor protein p63 0.0327 0.1228 0.1228
Brugia malayi GnHR receptor homolog 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Brugia malayi Cathepsin L-like precursor 0.0082 0.0218 0.0218
Echinococcus multilocularis serotonin receptor 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Brugia malayi cathepsin B-like cysteine proteinase 0.0438 0.1686 0.1686
Echinococcus multilocularis cysteine protease 0.0082 0.0218 0.0218
Giardia lamblia Cathepsin B precursor 0.0153 0.0512 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0087 0.0241 0.0241
Echinococcus granulosus cathepsin l1 0.0082 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.1258 0.5066 0.5066
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.0025
Trypanosoma cruzi cysteine peptidase, putative 0.0082 0.0218 0.0257
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0087 0.0241 0.0241
Echinococcus multilocularis allatostatin A receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0087 0.0241 0.0241
Echinococcus multilocularis cathepsin L cysteine protease 0.0082 0.0218 0.0218
Echinococcus granulosus cathepsin l cysteine peptidase 0.0082 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.0025
Echinococcus multilocularis dro:myosuppressin receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0082 0.0218 0.2419
Schistosoma mansoni biogenic amine receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis neuropeptide s receptor 0.0087 0.0241 0.0241
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0438 0.1686 0.2202
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0087 0.0241 0.0241
Toxoplasma gondii ABC1 family protein 0.0035 0.0025 0.048
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis neuropeptide FF receptor 2 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Schistosoma mansoni neuropeptide receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) neuropeptide F receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.0025
Echinococcus granulosus alpha 1A adrenergic receptor 0.0087 0.0241 0.0241
Brugia malayi cathepsin L-like precursor 0.0059 0.0124 0.0124
Plasmodium vivax vivapain-1 0.0048 0.008 0.3675
Echinococcus granulosus biogenic amine 5HT receptor 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Loa Loa (eye worm) melatonin receptor type 1A 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Echinococcus multilocularis g protein coupled receptor 0.0087 0.0241 0.0241
Echinococcus granulosus 7tm_1 domain containing protein 0.0087 0.0241 0.0241
Brugia malayi Melatonin receptor type 1A 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0082 0.0218 0.0218
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0087 0.0241 0.0241
Mycobacterium leprae Probable lipase LipE 0.0035 0.0025 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Leishmania major cathepsin L-like protease 0.0082 0.0218 0.0257
Entamoeba histolytica cysteine protease, putative 0.0082 0.0218 1
Echinococcus granulosus serotonin receptor 0.0087 0.0241 0.0241
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0017 0.0017
Echinococcus granulosus cysteine protease 0.0048 0.008 0.008
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0025 0.1124
Toxoplasma gondii cathepsin CPL 0.0082 0.0218 0.4267
Onchocerca volvulus Cathepsin F homolog 0.0082 0.0218 0.0218
Echinococcus granulosus rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0087 0.0241 0.0241
Trypanosoma cruzi cysteine protease, putative 0.0048 0.008 0.0074
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Giardia lamblia Cathepsin B precursor 0.0153 0.0512 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0082 0.0218 0.0218
Onchocerca volvulus Cathepsin L homolog 0.0082 0.0218 0.0218
Onchocerca volvulus 0.0087 0.0241 0.0241
Brugia malayi beta-lactamase family protein 0.0035 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0059 0.0124 0.0124
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.0124 0.1244
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0087 0.0241 0.0241
Schistosoma mansoni amine GPCR 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Schistosoma mansoni cathepsin F (C01 family) 0.0059 0.0124 0.0124
Mycobacterium ulcerans lipase LipD 0.0035 0.0025 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus cathepsin L cysteine proteinase 0.0082 0.0218 0.0218
Echinococcus granulosus neuropeptide FF receptor 2 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0147 0.0488 0.0488
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0025 0.0025
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Trypanosoma cruzi cruzipain precursor, putative 0.0082 0.0218 0.0257
Echinococcus multilocularis cysteine protease 0.0082 0.0218 0.0218
Onchocerca volvulus 0.0229 0.0826 0.0826
Echinococcus multilocularis rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Brugia malayi AKH receptor 0.0087 0.0241 0.0241
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0147 0.0488 0.0488
Brugia malayi Papain family cysteine protease containing protein 0.0048 0.008 0.008
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0087 0.0241 0.0241
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Leishmania major C-8 sterol isomerase-like protein 0.1865 0.7569 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Schistosoma mansoni neuropeptide receptor 0.0087 0.0241 0.0241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Onchocerca volvulus 0.0087 0.0241 0.0241
Echinococcus multilocularis g-protein coupled receptor 0.0087 0.0241 0.0241
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0087 0.0241 0.0241
Echinococcus multilocularis neuropeptide Y receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis fmrfamide receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0953 0.381 0.381
Echinococcus multilocularis neuropeptide Y receptor 0.0087 0.0241 0.0241
Trypanosoma brucei C-8 sterol isomerase, putative 0.1865 0.7569 1
Echinococcus granulosus cathepsin L 0.0048 0.008 0.008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0153 0.0512 0.0646
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Brugia malayi Cathepsin L-like precursor 0.0082 0.0218 0.0218
Brugia malayi putative neuropeptide receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0438 0.1686 0.1686
Echinococcus granulosus dro:myosuppressin receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0025 0.0025
Schistosoma mansoni histamine h1 receptor 0.0087 0.0241 0.0241
Brugia malayi MH2 domain containing protein 0.0116 0.0357 0.0357
Echinococcus multilocularis g protein coupled receptor 0.0087 0.0241 0.0241
Giardia lamblia Cathepsin B precursor 0.0153 0.0512 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.008 0.0695
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0087 0.0241 0.0241
Loa Loa (eye worm) norepinephrine transporter 0.0147 0.0488 0.0488
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0059 0.0124 0.1244
Loa Loa (eye worm) G-protein coupled receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0124 0.0132
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2455 1 1
Plasmodium vivax vivapain-3 0.0048 0.008 0.3675
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.008 0.008
Echinococcus granulosus tm gpcr rhodopsin 0.0087 0.0241 0.0241
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) beta-lactamase 0.0035 0.0025 0.0025
Schistosoma mansoni biogenic amine receptor 0.0087 0.0241 0.0241
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Echinococcus multilocularis rhodopsin orphan GPCR 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0147 0.0488 0.0488
Brugia malayi hypothetical protein 0.1258 0.5066 0.5066
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0087 0.0241 0.0241
Mycobacterium ulcerans beta-lactamase 0.0035 0.0025 0.5
Echinococcus granulosus cathepsin b 0.0438 0.1686 0.1686
Echinococcus granulosus tachykinin peptides receptor 99D 0.0087 0.0241 0.0241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus tumor protein p63 0.0327 0.1228 0.1228
Onchocerca volvulus 0.0087 0.0241 0.0241
Echinococcus granulosus sex peptide receptor 0.0087 0.0241 0.0241
Treponema pallidum sodium- and chloride- dependent transporter 0.0147 0.0488 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0082 0.0218 0.0218
Echinococcus granulosus g protein coupled receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0035 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.1865 0.7569 0.7569
Brugia malayi Papain family cysteine protease containing protein 0.0082 0.0218 0.0218
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0035 0.0025 0.0025
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0438 0.1686 0.1686
Loa Loa (eye worm) hypothetical protein 0.0082 0.0218 0.0218
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0082 0.0218 0.2419
Brugia malayi neuropeptide F receptor 0.0087 0.0241 0.0241
Echinococcus granulosus orexin receptor type 2 0.0087 0.0241 0.0241
Schistosoma mansoni amine GPCR 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0153 0.0512 0.6081
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.008 0.008
Echinococcus granulosus cathepsin l1 0.0059 0.0124 0.0124
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0087 0.0241 0.0241
Schistosoma mansoni growth hormone secretagogue receptor 0.0087 0.0241 0.0241
Schistosoma mansoni adenoreceptor 0.0087 0.0241 0.0241
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Loa Loa (eye worm) solute carrier family 6 member 4 0.0147 0.0488 0.0488
Entamoeba histolytica cysteine proteinase, putative 0.0082 0.0218 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Echinococcus granulosus serotonin transporter 0.0147 0.0488 0.0488
Leishmania major cathepsin L-like protease 0.0082 0.0218 0.0257
Echinococcus granulosus neuropeptides capa receptor 0.0087 0.0241 0.0241
Trypanosoma brucei cysteine peptidase C (CPC) 0.0153 0.0512 0.0646
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Brugia malayi sulfakinin receptor protein 0.1258 0.5066 0.5066
Onchocerca volvulus Cathepsin L homolog 0.0082 0.0218 0.0218
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0357 0.0357
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0087 0.0241 0.0241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1865 0.7569 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0087 0.0241 0.0241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Echinococcus granulosus g protein coupled receptor 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0082 0.0218 0.0218
Brugia malayi Cathepsin L-like precursor 0.0082 0.0218 0.0218
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.0798 1
Brugia malayi putative neuropeptide receptor NPR1 0.0087 0.0241 0.0241
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1865 0.7569 0.7569
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Brugia malayi beta-lactamase family protein 0.0035 0.0025 0.0025
Echinococcus multilocularis fmrfamide receptor 0.0087 0.0241 0.0241
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0025 0.0025
Schistosoma mansoni opsin-like receptor 0.0087 0.0241 0.0241
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0082 0.0218 0.2419
Schistosoma mansoni hypothetical protein 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0087 0.0241 0.0241
Brugia malayi Cathepsin L-like precursor 0.0059 0.0124 0.0124
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Schistosoma mansoni biogenic amine (5HT) receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis orexin receptor type 2 0.0087 0.0241 0.0241
Loa Loa (eye worm) cysteine protease 0.0082 0.0218 0.0218
Brugia malayi Dopamine receptor protein 1 0.0087 0.0241 0.0241
Leishmania major cathepsin L-like protease 0.0082 0.0218 0.0257
Echinococcus granulosus 7TM GPCR rhodopsin 0.0087 0.0241 0.0241
Schistosoma mansoni cathepsin F (C01 family) 0.0082 0.0218 0.0218
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0025 0.5
Echinococcus granulosus cathepsin L cysteine protease 0.0048 0.008 0.008
Onchocerca volvulus 0.0082 0.0218 0.0218
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0087 0.0241 0.0241
Brugia malayi hypothetical protein 0.0087 0.0241 0.0241
Onchocerca volvulus Neuropeptide F receptor homolog 0.0087 0.0241 0.0241
Brugia malayi larval opioid receptor 0.0087 0.0241 0.0241
Echinococcus granulosus neuropeptides capa receptor 0.0087 0.0241 0.0241
Schistosoma mansoni alpha-1 adrenergic receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0048 0.0078 0.0078
Schistosoma mansoni neuropeptide receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis vesicular acetylcholine transporter 0.2455 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Echinococcus granulosus tm gpcr rhodopsin 0.0087 0.0241 0.0241
Echinococcus granulosus G protein coupled receptor 139 0.0087 0.0241 0.0241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0082 0.0218 0.0218
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0087 0.0241 0.0241
Echinococcus granulosus g-protein coupled receptor 0.0087 0.0241 0.0241
Echinococcus multilocularis cathepsin b 0.0438 0.1686 0.1686
Plasmodium vivax unspecified product 0.0048 0.008 0.3675
Echinococcus multilocularis neuropeptide receptor 0.0087 0.0241 0.0241
Brugia malayi ORL1-like opioid receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Schistosoma mansoni neuropeptide f receptor 76f 0.0087 0.0241 0.0241
Plasmodium falciparum cysteine proteinase falcipain 3 0.0082 0.0218 1
Loa Loa (eye worm) G-protein coupled receptor 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0087 0.0241 0.0241
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0082 0.0218 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0082 0.0218 0.2419
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0082 0.0218 0.0257
Schistosoma mansoni opsin-like receptor 0.0087 0.0241 0.0241
Brugia malayi neuropeptide F receptor 0.0087 0.0241 0.0241
Onchocerca volvulus 0.0082 0.0218 0.0218
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.0711 0.0711
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0087 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0048 0.008 0.008
Schistosoma mansoni biogenic amine receptor 0.0087 0.0241 0.0241
Brugia malayi beta-lactamase 0.0035 0.0025 0.0025
Schistosoma mansoni neuropeptide F-like receptor 0.0087 0.0241 0.0241

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 23 nM Binding affinity towards human bradykinin receptor B2 ChEMBL. 12657278
Ki (binding) = 23 nM Binding affinity towards human bradykinin receptor B2 ChEMBL. 12657278

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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